Table 2.

Summary of redox potentials and HOMO/LUMO calculations.

Compound	R	E1/2ox[a] (CV) [V]	E1/2red[a] (CV) [V]	HOMO[b] (CV) [eV]	LUMO[b] (CV) [eV]	Egap[c] (CV) [eV]
SBDPiR690	H	0.79	−0.93	−5.17	−3.45	−1.72
SBDPiR688	CF3	0.94	−0.76	−5.32	−3.62	−1.70
SBDPiR698	F	0.78	−0.80	−5.16	−3.50	−1.66
SBDPiR710	CH3	0.69	−0.84	−5.07	−3.54	−1.53
SBDPiR731	OCH3	0.98	−0.45	−5.36	−3.93	−1.43
SBDPiR740	OH	1.02	−0.32	−5.40	−4.06	−1.34

^[a]Half-wave potentials of first oxidation and reduction processes eV E_1/2^ox (Fc) = 0.40.^[13

^[b]E_HOMO = −4.78 + (E_1/2^ox (FC)−(E_1/2^ox)); [b] E_LUMO = −4.78 + (E_1/2^ox(FC)−(E_1/2^red)).^[14]

^[c]E_gap = E_HOMO−E_LUMO.